3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide

C16H24N4O — CID 115935384

IUPAC3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
SMILESCN1CCCC2CN(c3c(N)cccc3C(N)=O)CCC21
InChIInChI=1S/C16H24N4O/c1-19-8-3-4-11-10-20(9-7-14(11)19)15-12(16(18)21)5-2-6-13(15)17/h2,5-6,11,14H,3-4,7-10,17H2,1H3,(H2,18,21)
InChIKeyCJIZCNHKCGASOX-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.29
Rot. Bonds2

About 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide

3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide (PubChem CID 115935384) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
PubChem CID115935384
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
SMILESCN1CCCC2CN(c3c(N)cccc3C(N)=O)CCC21
InChIInChI=1S/C16H24N4O/c1-19-8-3-4-11-10-20(9-7-14(11)19)15-12(16(18)21)5-2-6-13(15)17/h2,5-6,11,14H,3-4,7-10,17H2,1H3,(H2,18,21)
InChIKeyCJIZCNHKCGASOX-UHFFFAOYSA-N
XLogP1.29
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
CID 81199317
3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102964134
2-amino-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzoic acid
CID 81199834
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
CID 113399437
2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzoic acid
CID 81199525
3-amino-2-(3-methylpiperidin-1-yl)benzoic acid
CID 112577649
3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
CID 112577647
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
CID 81197311
5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
CID 81448030
3-amino-2-(4-methylazepan-1-yl)benzoic acid
CID 112578959
3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
CID 114087272

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
The IUPAC name of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide (CID 115935384) is 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide.
What is the SMILES notation for 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
The canonical SMILES for 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide is CN1CCCC2CN(c3c(N)cccc3C(N)=O)CCC21.
What is the InChIKey of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
The InChIKey is CJIZCNHKCGASOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-8-3-4-11-10-20(9-7-14(11)19)15-12(16(18)21)5-2-6-13(15)17/h2,5-6,11,14H,3-4,7-10,17H2,1H3,(H2,18,21).
What are the key properties of 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide is sourced from PubChem (CID 115935384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).